Compound Detail
CHEMBL415482
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Basic Information
| ChEMBL ID | CHEMBL415482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GETQXLAMYOMSJS-GOSISDBHSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
0.99
ALogP
6
HBA
2
HBD
116.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 7.87 | 7.87 | 13.6 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 0.68 | nM | 9.17 | Inhibition of human Matrix metalloprotease-2 | 11327577 |
| Matrix metalloproteinase-9 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Matrix metalloprotease-9 | 11327577 |
| Neutrophil collagenase | IC50 | = | 1.5 | nM | 8.82 | Inhibition of Matrix metalloprotease-8 | 11327577 |
| Stromelysin-1 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of Matrix metalloprotease-3 | 11327577 |
| Interstitial collagenase | IC50 | = | 13.6 | nM | 7.87 | Inhibition of human Matrix metalloprotease-1 | 11327577 |
| Matrilysin | IC50 | = | 88.0 | nM | 7.06 | Inhibition of Matrix metalloprotease-7 | 11327577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Interstitial collagenase | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | 72 kDa type IV collagenase | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Stromelysin-1 | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Matrilysin | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Neutrophil collagenase | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Matrix metalloproteinase-9 | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine